N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide

C18H17FN2O — CID 7346162

IUPACN-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)NCc1ccc(F)cc1)n2C
InChIInChI=1S/C18H17FN2O/c1-12-3-8-16-14(9-12)10-17(21(16)2)18(22)20-11-13-4-6-15(19)7-5-13/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyHRLRXEYYVCJFTO-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.56
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide

N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide (PubChem CID 7346162) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide
PubChem CID7346162
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)NCc1ccc(F)cc1)n2C
InChIInChI=1S/C18H17FN2O/c1-12-3-8-16-14(9-12)10-17(21(16)2)18(22)20-11-13-4-6-15(19)7-5-13/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyHRLRXEYYVCJFTO-UHFFFAOYSA-N
XLogP3.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide (CID 7346162) is N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide is Cc1ccc2c(c1)cc(C(=O)NCc1ccc(F)cc1)n2C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide?
The InChIKey is HRLRXEYYVCJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-3-8-16-14(9-12)10-17(21(16)2)18(22)20-11-13-4-6-15(19)7-5-13/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,5-dimethylindole-2-carboxamide is sourced from PubChem (CID 7346162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).